SCHEMBL12836367

SCHEMBL12836367

C=C1OB(c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PTPN11 Q06124 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ EED O75530 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1516665 0.88 TSHR (0.44) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL13651083 0.88 TSHR (0.44) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL13651148 0.82 PTPN11 (0.41) MAPTPTPN11HTTBRD4EED
SCHEMBL11968406 0.80 PTPN11 (0.40) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL12763220 0.80 TSHR (0.53) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL11968522 0.80 PTPN11 (0.38) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL1516730 0.79 TSHR (0.50) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL13010696 0.77 TSHR (0.50) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL1516591 0.77 TSHR (0.53) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL11968507 0.77 PTPN11 (0.38) TSHRSMN1; SMN2MAPTPTPN11BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906648-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-03-15 — — US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 — — US disclosed
US-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-12-10 — — US disclosed
US-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 — — US disclosed
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-09-11 — — US disclosed
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 TSHR 1725/4885SMN1; SMN2 3298/4885MAPT 1612/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 TSHR 1725/4885SMN1; SMN2 3298/4885MAPT 1612/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 TSHR 1725/4885SMN1; SMN2 3298/4885MAPT 1612/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 TSHR 3000/4885SMN1; SMN2 2843/4885MAPT 1385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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